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5-bromo-2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine

5-bromo-2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine

CAS: 2757083-26-2

Formula: C12H15BrN2O

SMILES: CC(C)(C)[C@H]1COC(=N1)C1=CC=C(Br)C=N1

IUPAC: 5-bromo-2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine

InChI: InChI=1S/C12H15BrN2O/c1-12(2,3)10-7-16-11(15-10)9-5-4-8(13)6-14-9/h4-6,10H,7H2,1-3H3/t10-/m1/s1

Composition: C (50.90%), H (5.34%), Br (28.22%), N (9.89%), O (5.65%)

Molar Mass: 283.169

Atom Count: 31

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 282.036776
Formal Charge 0
FSP3 0.5
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey UPDHTVYVNBDRNC-SNVBAGLBSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.24
Topological Polar Surface Area 34.48
Polarizability 25.79
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
99% <5 Days 2757083-26-2 $161.41-$273.64$161.41$273.64
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